CID 65019085

Ethyl 4-[(5-bromothiophen-2-yl)methoxy]benzoate

Structural Information

Molecular Formula
C14H13BrO3S
SMILES
CCOC(=O)C1=CC=C(C=C1)OCC2=CC=C(S2)Br
InChI
InChI=1S/C14H13BrO3S/c1-2-17-14(16)10-3-5-11(6-4-10)18-9-12-7-8-13(15)19-12/h3-8H,2,9H2,1H3
InChIKey
CEZUYJGLPSTJOK-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-bromothiophen-2-yl)methoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.97687 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.98415 164.1
[M+Na]+ 362.96609 176.1
[M-H]- 338.96959 174.0
[M+NH4]+ 358.01069 184.1
[M+K]+ 378.94003 164.8
[M+H-H2O]+ 322.97413 164.0
[M+HCOO]- 384.97507 182.0
[M+CH3COO]- 398.99072 202.3
[M+Na-2H]- 360.95154 166.1
[M]+ 339.97632 188.4
[M]- 339.97742 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.